| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 17 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.02 | 6.44 | -171.42 | 5 | 3 | 3 | 37 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.62 | -82.88 | 4 | 3 | 2 | 35 | 239.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 2.2 | -42.6 | 3 | 3 | 1 | 34 | 238.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 4.02 | -93.48 | 4 | 3 | 2 | 35 | 239.407 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
